- InChI
- InChI=1S/C28H54O3Si3/c1-27-16-14-21(29-32(3,4)5)18-20(27)19-24(30-33(6,7)8)26-22-12-13-25(31-34(9,10)11)28(22,2)17-15-23(26)27/h19,21-26H,12-18H2,1-11H3/t21-,22?,23?,24-,25-,26?,27-,28-/m1/s1
- InChI Key
- YZJWSRYSQHTCFY-ZGEFQZNXSA-N
- Formula
- C28H54O3Si3
- SMILES
-
CC12CCC(O[Si](C)(C)C)CC1=CC(O[
Si](C)(C)C)C1C2CCC2(C)C(O[Si]( C)(C)C)CCC12 - Molecular Weight1
- 522.98
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6446 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -971.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.219 | Crippen Calculated Property | |
| Inp | [2840.00; 2890.00] |
|
|
| Inp | 2865.00 | NIST | |
| Inp | 2859.00 | NIST | |
| Inp | 2840.00 | NIST | |
| Inp | 2868.00 | NIST | |
| Inp | 2890.00 | NIST | |
| Inp | 2890.00 | NIST | |
| Inp | 2868.00 | NIST | |
| Tboil | 672.31 | K | Relay (1.0) Calculated Property |
| Tc | 927.30 | K | Relay (1.0) Calculated Property |
| Tfus | 364.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.708 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Androstenetriol MO TMS.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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